3-Fluoro-2-nitrobenzoic acid

C₇H₄FNO₄CAS 1000339-51-4185.11 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Nitro

Properties

Molecular formula: C₇H₄FNO₄
Molar mass: 185.11 g/mol
Exact mass: 185.0124 Da
logP: 1.43Crippen estimate
Polar surface area: 80.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Identifiers

CAS number

1000339-51-4

SMILES

C1=CC(=C(C(=C1)F)[N+](=O)[O-])C(=O)O

InChIKey

DTGONJAUUOWYGB-UHFFFAOYSA-N

InChI

InChI=1S/C7H4FNO4/c8-5-3-1-2-4(7(10)11)6(5)9(12)13/h1-3H,(H,10,11)

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 3-Fluoro-2-nitrobenzoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Nitro-1,3-benzenedicarboxylic acid21161-11-576 % similar 3-Chloro-2-nitrobenzoic acid4771-47-567 % similar 3-Methyl-2-nitrobenzoic acid5437-38-765 % similar 3-Methoxy-2-nitrobenzoic acid4920-80-362 % similar 1,3-Difluoro-2-nitrobenzene19064-24-562 % similar 2,4-Dichloro-5-fluoro-3-nitrobenzoic acid106809-14-760 % similar 2-Chloro-4-fluoro-5-nitrobenzoic acid114776-15-757 % similar 3-Fluoro-2-nitrophenol385-01-356 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-Fluoro-2-nitrobenzoic acid320-98-9 2-Fluoro-6-nitrobenzoic acid385-02-4 4-Fluoro-2-nitrobenzoic acid394-01-4 3-Fluoro-4-nitrobenzoic acid403-21-4 2-Fluoro-4-nitrobenzoic acid403-24-7 4-Fluoro-3-nitrobenzoic acid453-71-4

Elsewhere

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